#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe0 n GLY 2 N 0.00 0.46 3.28 3.03 0.00 -1.26 -5.03 105.19 105.66 2fe0 n GLY 2 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 2fe0 n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 n GLY 4 N -0.10 0.00 2.94 0.00 0.00 -1.26 -5.03 105.19 101.75 2fe0 n GLY 4 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 2fe0 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 n ALA 5 N -0.27 -0.92 -1.27 4.61 0.00 -1.26 -4.95 120.51 116.45 2fe0 n ALA 5 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 2fe0 n ALA 5 Cb 0.00 -3.17 0.11 0.00 0.00 0.00 0.00 19.45 16.39 2fe0 n ALA 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2fe0 s SER 6 N -2.54 3.97 0.42 0.00 1.04 -1.26 -4.84 113.70 110.49 2fe0 s SER 6 Ca 0.25 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.26 2fe0 s SER 6 Cb -0.12 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2fe0 s SER 6 CO 0.31 -2.33 0.00 -1.20 0.98 0.00 0.00 173.24 170.99 2fe0 n SER 7 N -3.69 -6.20 -4.93 7.02 7.64 -1.26 -4.92 113.62 107.28 2fe0 n SER 7 Ca 0.08 0.94 -0.20 0.00 1.01 0.00 0.00 58.87 60.70 2fe0 n SER 7 Cb 0.55 -4.03 -0.02 0.00 -1.01 0.00 0.00 64.21 59.70 2fe0 n SER 7 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2fe0 s GLU 8 N -3.89 2.89 0.32 1.43 -1.05 -1.26 -5.14 118.70 112.00 2fe0 s GLU 8 Ca 0.00 -1.19 0.01 0.00 -0.15 0.00 0.00 54.97 53.65 2fe0 s GLU 8 Cb 0.00 -2.65 -0.02 0.00 -0.44 0.00 0.00 34.13 31.03 2fe0 s GLU 8 CO 0.00 0.02 0.35 0.54 0.95 0.00 0.00 175.26 177.12 2fe0 s ASN 9 N -4.12 1.10 0.77 0.83 2.20 -1.26 -5.16 114.94 109.31 2fe0 s ASN 9 Ca 0.45 -1.57 -0.11 0.00 -0.94 0.00 0.00 52.86 50.69 2fe0 s ASN 9 Cb -0.08 0.58 0.06 0.00 -2.00 0.00 0.00 41.25 39.81 2fe0 s ASN 9 CO 0.29 -1.13 1.10 -0.94 -2.94 0.00 0.00 177.10 173.48 2fe0 s SER 10 N -3.28 4.42 0.00 3.54 1.04 -1.26 -5.03 113.70 113.14 2fe0 s SER 10 Ca 0.36 1.88 0.00 0.00 0.48 0.00 0.00 55.95 58.66 2fe0 s SER 10 Cb 0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2fe0 s SER 10 CO 0.22 -2.09 0.00 -1.20 0.98 0.00 0.00 173.24 171.15 2fe0 n SER 11 N -3.47 0.00 -3.82 7.02 7.64 -1.26 -5.17 113.62 114.56 2fe0 n SER 11 Ca 0.09 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.84 2fe0 n SER 11 Cb 0.53 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.58 2fe0 n SER 11 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2fe0 s VAL 12 N -1.96 -0.02 -0.02 0.44 1.01 -1.26 -4.90 120.40 113.69 2fe0 s VAL 12 Ca 0.00 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.11 2fe0 s VAL 12 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 2fe0 s VAL 12 CO 0.00 0.03 -0.17 -0.89 0.00 0.00 0.00 175.10 174.08 2fe0 s THR 13 N 0.44 1.34 0.32 3.92 2.01 -1.26 -5.15 115.64 117.25 2fe0 s THR 13 Ca -0.03 -0.71 0.08 0.00 0.31 0.00 0.00 61.69 61.33 2fe0 s THR 13 Cb -0.05 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 2fe0 s THR 13 CO -0.01 0.38 0.21 -0.31 -0.69 0.00 0.00 174.62 174.19 2fe0 s TYR 14 N -0.31 2.87 0.08 4.92 2.02 -1.26 -4.78 117.35 120.89 2fe0 s TYR 14 Ca 0.04 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 2fe0 s TYR 14 Cb -0.07 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 2fe0 s TYR 14 CO -0.00 0.33 0.00 1.55 -1.57 0.00 0.00 175.55 175.85 2fe0 n VAL 15 N -1.24 0.00 1.95 0.71 3.14 -1.26 -4.84 118.33 116.79 2fe0 n VAL 15 Ca -0.04 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.47 2fe0 n VAL 15 Cb 0.60 -0.45 0.71 0.00 -1.06 0.00 0.00 33.84 33.64 2fe0 n VAL 15 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2fe0 n ASN 16 N -2.75 0.13 0.00 6.55 3.02 -1.26 -4.97 115.26 115.98 2fe0 n ASN 16 Ca 0.00 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 2fe0 n ASN 16 Cb 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2fe0 n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fe0 n GLY 17 N 0.91 3.23 3.81 7.41 0.00 -1.26 -4.95 105.19 114.34 2fe0 n GLY 17 Ca 0.18 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 2fe0 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fe0 s ARG 18 N -2.47 3.99 0.49 1.61 1.81 -1.26 -4.88 118.95 118.23 2fe0 s ARG 18 Ca 0.00 0.38 -0.19 0.00 -1.72 0.00 0.00 55.73 54.20 2fe0 s ARG 18 Cb 0.00 -3.26 -0.13 0.00 -0.45 0.00 0.00 34.95 31.11 2fe0 s ARG 18 CO 0.00 0.59 0.27 -2.30 -0.68 0.00 0.00 175.30 173.18 2fe0 n PRO 19 N 2.19 0.29 0.14 3.54 -0.02 -1.26 -4.88 135.00 135.00 2fe0 n PRO 19 Ca -0.13 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 2fe0 n PRO 19 Cb 0.52 -1.34 0.15 0.00 -0.02 0.00 0.00 33.50 32.81 2fe0 n PRO 19 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2fe0 h THR 20 N 0.31 1.25 -3.01 3.45 2.02 -1.94 -3.44 112.91 111.55 2fe0 h THR 20 Ca -0.42 -2.20 -0.61 0.00 0.77 0.00 0.00 66.41 63.95 2fe0 h THR 20 Cb 1.42 2.25 -0.05 0.00 -1.74 0.00 0.00 68.15 70.03 2fe0 h THR 20 CO 0.46 0.59 -0.24 0.12 0.37 0.00 0.00 175.52 176.83 2fe0 s PHE 21 N -3.35 3.67 0.22 3.16 5.36 -1.26 -5.08 117.98 120.70 2fe0 s PHE 21 Ca 0.00 0.89 0.05 0.00 -0.96 0.00 0.00 56.93 56.92 2fe0 s PHE 21 Cb 0.11 -2.22 -0.03 0.00 -0.34 0.00 0.00 43.02 40.53 2fe0 s PHE 21 CO 0.75 0.61 0.24 0.14 -1.46 0.00 0.00 175.22 175.50 2fe0 s VAL 22 N -1.18 4.78 0.00 3.12 -7.23 -1.26 -5.09 120.40 113.54 2fe0 s VAL 22 Ca 0.26 -1.13 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 2fe0 s VAL 22 Cb -0.15 -3.54 0.00 0.00 0.56 0.00 0.00 36.38 33.25 2fe0 s VAL 22 CO 0.14 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 2fe0 n GLY 23 N -0.97 3.12 1.95 2.32 0.00 -1.26 -4.84 105.19 105.52 2fe0 n GLY 23 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2fe0 n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fe0 n GLU 24 N 0.00 0.00 -2.46 1.61 2.13 -1.08 -5.00 120.64 115.85 2fe0 n GLU 24 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 2fe0 n GLU 24 Cb 0.00 -0.01 -0.02 0.00 0.27 0.00 0.00 31.44 31.68 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2fe0 s GLU 25 N -1.36 3.79 -0.07 5.31 2.12 -1.17 -4.95 118.70 122.36 2fe0 s GLU 25 Ca 0.00 1.00 0.03 0.00 0.36 0.00 0.00 54.97 56.36 2fe0 s GLU 25 Cb 0.00 -3.91 0.01 0.00 0.26 0.00 0.00 34.13 30.48 2fe0 s GLU 25 CO 0.00 -1.29 -0.14 0.08 -0.54 0.00 0.00 175.26 173.37 2fe0 s VAL 26 N 4.64 1.28 0.08 3.70 1.01 -1.26 -2.12 120.40 127.74 2fe0 s VAL 26 Ca 0.55 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 2fe0 s VAL 26 Cb -0.13 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 2fe0 s VAL 26 CO 0.27 0.39 0.18 0.28 0.00 0.00 0.00 175.10 176.21 2fe0 s THR 27 N 0.53 0.14 -0.13 3.92 -1.32 -1.12 -4.83 115.64 112.82 2fe0 s THR 27 Ca -0.13 -1.19 -0.11 0.00 -1.21 0.00 0.00 61.69 59.04 2fe0 s THR 27 Cb -0.15 -1.31 -0.05 0.00 -1.51 0.00 0.00 72.50 69.48 2fe0 s THR 27 CO 0.04 -0.66 0.24 -1.59 -2.21 0.00 0.00 174.62 170.44 2fe0 s LYS 28 N -3.73 3.97 0.01 7.08 -2.85 -1.26 0.14 119.74 123.09 2fe0 s LYS 28 Ca 0.04 0.02 -0.10 0.00 -1.00 0.00 0.00 55.97 54.93 2fe0 s LYS 28 Cb 0.04 -3.33 -0.05 0.00 -2.06 0.00 0.00 37.83 32.43 2fe0 s LYS 28 CO -0.10 0.47 0.89 0.78 0.10 0.00 0.00 175.35 177.48 2fe0 h GLY 29 N 5.91 -0.37 -2.73 0.59 0.00 -1.30 -3.44 103.07 101.74 2fe0 h GLY 29 Ca -0.46 0.14 -0.46 0.00 0.00 0.00 0.00 47.33 46.54 2fe0 h GLY 29 CO 0.69 -0.13 0.34 -1.36 0.00 0.00 0.00 176.54 176.07 2fe0 s PHE 30 N -3.30 3.57 -2.04 5.60 0.08 -1.26 -4.94 117.98 115.68 2fe0 s PHE 30 Ca -0.05 1.72 0.11 0.00 0.12 0.00 0.00 56.93 58.82 2fe0 s PHE 30 Cb 0.01 -2.89 0.36 0.00 -0.57 0.00 0.00 43.02 39.93 2fe0 s PHE 30 CO 0.16 0.11 1.28 0.39 -0.10 0.00 0.00 175.22 177.06 2fe0 n GLU 31 N 0.18 1.65 -3.81 0.44 -0.58 -1.26 -4.62 120.64 112.64 2fe0 n GLU 31 Ca 0.03 -1.01 -0.24 0.00 -0.42 0.00 0.00 57.16 55.52 2fe0 n GLU 31 Cb 0.51 -1.25 -0.02 0.00 -0.57 0.00 0.00 31.44 30.11 2fe0 n GLU 31 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2fe0 s LYS 32 N -1.66 3.47 1.08 3.49 -0.14 -1.26 -4.97 119.74 119.75 2fe0 s LYS 32 Ca 0.22 -0.55 0.00 0.00 -1.36 0.00 0.00 55.97 54.28 2fe0 s LYS 32 Cb 0.11 -2.86 0.00 0.00 -1.68 0.00 0.00 37.83 33.40 2fe0 s LYS 32 CO 0.15 0.41 0.00 -0.25 -0.76 0.00 0.00 175.35 174.90 2fe0 n ASP 33 N -1.05 -2.99 -0.18 2.83 8.00 -1.26 -2.84 116.55 119.06 2fe0 n ASP 33 Ca -0.07 0.00 0.19 0.00 0.71 0.00 0.00 54.79 55.63 2fe0 n ASP 33 Cb 0.55 0.00 0.56 0.00 -0.02 0.00 0.00 41.12 42.21 2fe0 n ASP 33 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2fe0 h ASN 34 N 0.00 0.30 0.00 -2.24 -0.26 -1.94 -3.43 115.58 108.01 2fe0 h ASN 34 Ca 0.00 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2fe0 h ASN 34 Cb 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 2fe0 h ASN 34 CO 0.00 0.13 0.00 0.61 -1.06 0.00 0.00 177.43 177.11 2fe0 n GLY 35 N -1.56 0.11 5.01 2.83 0.00 -1.13 -4.66 105.19 105.80 2fe0 n GLY 35 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2fe0 n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fe0 n LEU 36 N 0.00 0.00 -4.60 0.99 4.77 -1.26 -4.03 117.00 112.87 2fe0 n LEU 36 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2fe0 n LEU 36 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2fe0 n LEU 36 CO 0.00 0.00 -0.28 -0.22 -1.33 0.00 0.00 177.39 175.56 2fe0 s LEU 37 N 0.00 3.65 -0.15 2.23 2.96 -1.26 -3.37 118.68 122.74 2fe0 s LEU 37 Ca 0.00 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.92 2fe0 s LEU 37 Cb 0.00 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 2fe0 s LEU 37 CO 0.00 0.19 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.79 2fe0 s PHE 38 N 0.28 2.95 -0.58 5.38 0.08 -1.24 -1.16 117.98 123.68 2fe0 s PHE 38 Ca 0.02 -0.44 -0.22 0.00 0.12 0.00 0.00 56.93 56.40 2fe0 s PHE 38 Cb -0.13 -1.93 0.06 0.00 -0.57 0.00 0.00 43.02 40.45 2fe0 s PHE 38 CO 0.01 -0.12 0.87 0.50 -0.10 0.00 0.00 175.22 176.38 2fe0 s ARG 39 N 0.41 3.19 -0.20 0.44 3.52 0.37 -3.59 118.95 123.09 2fe0 s ARG 39 Ca -0.06 -0.66 -0.15 0.00 -0.13 0.00 0.00 55.73 54.73 2fe0 s ARG 39 Cb -0.15 -4.14 -0.04 0.00 -1.56 0.00 0.00 34.95 29.06 2fe0 s ARG 39 CO 0.04 -1.56 0.35 0.42 -0.81 0.00 0.00 175.30 173.74 2fe0 s ILE 40 N 3.65 5.23 -0.04 4.11 1.01 -0.10 -2.79 121.20 132.27 2fe0 s ILE 40 Ca 0.23 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.51 2fe0 s ILE 40 Cb -0.16 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.64 2fe0 s ILE 40 CO 0.14 0.28 -0.08 -0.69 0.00 0.00 0.00 174.94 174.59 2fe0 s VAL 41 N 1.17 0.73 -0.42 2.92 1.01 -0.90 0.65 120.40 125.56 2fe0 s VAL 41 Ca 0.17 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 2fe0 s VAL 41 Cb -0.14 -0.69 0.10 0.00 0.00 0.00 0.00 36.38 35.65 2fe0 s VAL 41 CO 0.07 0.25 0.24 0.21 0.00 0.00 0.00 175.10 175.87 2fe0 s ASN 42 N 0.56 5.43 0.53 3.32 3.04 -1.09 -2.63 114.94 124.10 2fe0 s ASN 42 Ca -0.09 -1.81 0.24 0.00 0.04 0.00 0.00 52.86 51.25 2fe0 s ASN 42 Cb -0.12 -1.90 1.39 0.00 -1.54 0.00 0.00 41.25 39.08 2fe0 s ASN 42 CO 0.01 -0.56 2.02 0.11 -3.04 0.00 0.00 177.10 175.65 2fe0 h LYS 43 N 8.23 0.00 -0.00 0.43 1.57 -1.93 3.00 116.57 127.86 2fe0 h LYS 43 Ca -0.18 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2fe0 h LYS 43 Cb 1.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.33 2fe0 h LYS 43 CO 0.74 0.00 -0.27 -0.22 -0.57 0.00 0.00 179.45 179.13 2fe0 h LYS 44 N 0.00 -0.40 -0.02 3.15 3.64 -1.98 -3.02 116.57 117.95 2fe0 h LYS 44 Ca 0.21 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2fe0 h LYS 44 Cb 0.84 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2fe0 h LYS 44 CO -0.00 -0.26 -0.13 1.63 -2.27 0.00 0.00 179.45 178.41 2fe0 n LYS 45 N -5.38 1.43 -2.31 1.90 5.02 -0.77 -4.97 118.16 113.08 2fe0 n LYS 45 Ca -0.05 -1.13 -0.16 0.00 -2.02 0.00 0.00 58.31 54.94 2fe0 n LYS 45 Cb 0.30 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 2fe0 n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2fe0 n LYS 46 N 0.42 -1.89 -3.53 1.97 4.76 0.99 -4.41 118.16 116.47 2fe0 n LYS 46 Ca 0.08 0.82 -0.37 0.00 -2.87 0.00 0.00 58.31 55.96 2fe0 n LYS 46 Cb 0.35 -5.41 -0.09 0.00 -1.84 0.00 0.00 35.03 28.04 2fe0 n LYS 46 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2fe0 s GLN 47 N -4.84 4.11 0.34 1.97 -2.07 -1.14 -2.28 119.66 115.75 2fe0 s GLN 47 Ca 0.00 -0.05 -0.20 0.00 -1.82 0.00 0.00 55.36 53.29 2fe0 s GLN 47 Cb 0.00 -3.55 -0.10 0.00 -1.09 0.00 0.00 33.01 28.28 2fe0 s GLN 47 CO 0.00 -0.00 0.85 -1.58 -1.32 0.00 0.00 175.29 173.24 2fe0 s TRP 48 N 1.22 3.47 -0.01 9.60 0.52 0.18 -2.68 118.94 131.23 2fe0 s TRP 48 Ca 0.13 1.50 -0.05 0.00 0.02 0.00 0.00 56.10 57.71 2fe0 s TRP 48 Cb -0.14 -2.74 0.00 0.00 -1.15 0.00 0.00 33.47 29.44 2fe0 s TRP 48 CO 0.06 0.09 0.10 0.00 0.02 0.00 0.00 176.95 177.22 2fe0 s ALA 49 N -1.89 -0.22 -0.02 0.98 0.00 0.21 -1.38 121.76 119.44 2fe0 s ALA 49 Ca 0.54 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.50 2fe0 s ALA 49 Cb -0.13 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2fe0 s ALA 49 CO 0.18 -0.14 -0.20 0.71 0.00 0.00 0.00 175.76 176.30 2fe0 s TYR 50 N -0.87 1.83 -0.08 0.00 2.02 -1.17 -0.92 117.35 118.16 2fe0 s TYR 50 Ca -0.10 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 2fe0 s TYR 50 Cb -0.06 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.34 2fe0 s TYR 50 CO 0.01 -0.04 -0.13 -0.47 -1.57 0.00 0.00 175.55 173.34 2fe0 s TYR 51 N -0.44 1.60 -0.21 2.71 5.04 -1.24 -3.13 117.35 121.69 2fe0 s TYR 51 Ca 0.07 -0.64 -0.16 0.00 -2.44 0.00 0.00 57.07 53.90 2fe0 s TYR 51 Cb -0.08 -1.17 -0.04 0.00 0.35 0.00 0.00 41.96 41.02 2fe0 s TYR 51 CO -0.01 -0.33 0.40 1.21 -1.34 0.00 0.00 175.55 175.48 2fe0 s ASN 52 N 0.78 6.42 -0.19 4.32 3.84 -1.26 -3.63 114.94 125.22 2fe0 s ASN 52 Ca -0.12 0.50 0.03 0.00 0.21 0.00 0.00 52.86 53.48 2fe0 s ASN 52 Cb -0.16 -2.23 -0.21 0.00 -0.55 0.00 0.00 41.25 38.10 2fe0 s ASN 52 CO 0.02 -0.09 0.05 -0.90 -2.79 0.00 0.00 177.10 173.39 2fe0 n ASP 53 N 4.58 1.65 -4.65 -4.21 5.75 -1.22 -3.12 116.55 115.33 2fe0 n ASP 53 Ca -0.08 0.02 -0.42 0.00 -0.01 0.00 0.00 54.79 54.30 2fe0 n ASP 53 Cb 0.51 -0.31 -0.03 0.00 -1.03 0.00 0.00 41.12 40.26 2fe0 n ASP 53 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2fe0 n THR 54 N -3.23 0.72 1.44 2.12 -2.24 -1.26 -4.69 114.28 107.14 2fe0 n THR 54 Ca -0.38 -0.18 0.12 0.00 -2.27 0.00 0.00 64.05 61.34 2fe0 n THR 54 Cb 1.04 -2.35 0.48 0.00 -2.10 0.00 0.00 70.33 67.40 2fe0 n THR 54 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2fe0 n THR 55 N 5.83 0.10 -0.07 4.28 -2.24 -1.26 -4.03 114.28 116.89 2fe0 n THR 55 Ca 0.21 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 2fe0 n THR 55 Cb 0.41 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.89 2fe0 n THR 55 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2fe0 n GLN 56 N 0.09 0.34 -4.56 -0.78 7.27 -1.26 -5.01 117.38 113.47 2fe0 n GLN 56 Ca 0.18 0.10 -0.31 0.00 0.07 0.00 0.00 57.00 57.04 2fe0 n GLN 56 Cb 0.30 -1.18 -0.12 0.00 2.41 0.00 0.00 30.24 31.65 2fe0 n GLN 56 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2fe0 s TYR 57 N -2.28 2.60 0.19 3.69 2.02 -1.26 -2.33 117.35 119.98 2fe0 s TYR 57 Ca -0.20 -0.23 -0.09 0.00 -0.37 0.00 0.00 57.07 56.18 2fe0 s TYR 57 Cb 0.06 -1.46 -0.07 0.00 -0.40 0.00 0.00 41.96 40.10 2fe0 s TYR 57 CO 0.30 0.29 0.50 -1.83 -1.57 0.00 0.00 175.55 173.24 2fe0 s GLU 58 N -1.59 3.77 -0.31 -0.62 1.03 0.45 -4.51 118.70 116.92 2fe0 s GLU 58 Ca 0.16 0.20 -0.14 0.00 0.03 0.00 0.00 54.97 55.22 2fe0 s GLU 58 Cb -0.11 -2.75 -0.03 0.00 -0.80 0.00 0.00 34.13 30.44 2fe0 s GLU 58 CO 0.07 0.39 0.33 -1.64 -1.33 0.00 0.00 175.26 173.08 2fe0 s MET 59 N -2.61 3.79 -0.21 -4.83 -1.94 -1.20 -1.43 119.30 110.87 2fe0 s MET 59 Ca 0.44 -0.24 -0.13 0.00 -1.71 0.00 0.00 55.69 54.05 2fe0 s MET 59 Cb -0.12 -3.73 -0.05 0.00 2.01 0.00 0.00 34.83 32.95 2fe0 s MET 59 CO 0.21 -0.37 0.26 -1.01 -0.01 0.00 0.00 175.02 174.10 2fe0 s HIS 60 N 1.99 3.37 -0.18 -0.03 3.76 -1.03 -2.43 115.29 120.73 2fe0 s HIS 60 Ca 0.12 0.44 -0.08 0.00 -0.15 0.00 0.00 55.06 55.39 2fe0 s HIS 60 Cb -0.16 -2.36 -0.04 0.00 1.11 0.00 0.00 32.58 31.13 2fe0 s HIS 60 CO 0.11 0.10 0.09 0.08 -0.85 0.00 0.00 174.74 174.26 2fe0 s VAL 61 N 0.95 5.01 -0.35 -0.90 1.01 -0.85 -3.04 120.40 122.23 2fe0 s VAL 61 Ca 0.13 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2fe0 s VAL 61 Cb -0.14 -3.26 0.14 0.00 0.00 0.00 0.00 36.38 33.12 2fe0 s VAL 61 CO 0.05 0.46 0.26 -0.22 0.00 0.00 0.00 175.10 175.65 2fe0 s LEU 62 N 0.30 0.55 -0.13 3.92 2.96 -0.15 -2.46 118.68 123.67 2fe0 s LEU 62 Ca 0.05 -1.85 -0.01 0.00 -0.22 0.00 0.00 54.13 52.10 2fe0 s LEU 62 Cb -0.12 -0.05 -0.02 0.00 0.50 0.00 0.00 46.19 46.51 2fe0 s LEU 62 CO -0.00 -0.31 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.91 2fe0 s VAL 63 N 1.34 3.18 -0.12 1.68 1.01 -1.21 -0.67 120.40 125.61 2fe0 s VAL 63 Ca 0.16 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 2fe0 s VAL 63 Cb -0.20 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2fe0 s VAL 63 CO -0.05 0.52 -0.02 -0.89 0.00 0.00 0.00 175.10 174.66 2fe0 s THR 64 N 0.35 4.11 0.35 3.92 2.01 0.13 -2.59 115.64 123.91 2fe0 s THR 64 Ca -0.10 -0.30 0.09 0.00 0.31 0.00 0.00 61.69 61.69 2fe0 s THR 64 Cb -0.16 -2.76 -0.06 0.00 0.01 0.00 0.00 72.50 69.53 2fe0 s THR 64 CO 0.05 0.54 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.13 2fe0 s PHE 65 N -0.24 2.48 0.51 4.92 0.40 0.94 -0.05 117.98 126.95 2fe0 s PHE 65 Ca 0.05 -0.49 -0.16 0.00 -0.60 0.00 0.00 56.93 55.73 2fe0 s PHE 65 Cb -0.13 -1.48 -0.07 0.00 0.51 0.00 0.00 43.02 41.85 2fe0 s PHE 65 CO 0.02 0.52 0.97 1.21 0.70 0.00 0.00 175.22 178.64 2fe0 s ASN 66 N -3.67 6.58 0.21 1.36 2.47 -1.21 -0.52 114.94 120.16 2fe0 s ASN 66 Ca 0.34 1.52 -0.13 0.00 0.42 0.00 0.00 52.86 55.01 2fe0 s ASN 66 Cb 0.02 -2.49 0.24 0.00 -1.45 0.00 0.00 41.25 37.58 2fe0 s ASN 66 CO 0.18 -0.60 1.63 -0.08 -3.72 0.00 0.00 177.10 174.51 2fe0 h GLU 67 N 0.84 0.01 -5.59 0.43 4.81 -1.80 -3.12 114.58 110.16 2fe0 h GLU 67 Ca -0.47 -0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.13 2fe0 h GLU 67 Cb 1.19 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.50 2fe0 h GLU 67 CO 0.62 0.01 2.14 -3.47 -0.73 0.00 0.00 179.01 177.57 2fe0 n ASP 68 N -5.42 4.52 -3.51 1.04 2.03 -1.26 -4.83 116.55 109.12 2fe0 n ASP 68 Ca 0.08 -2.88 -0.06 0.00 0.52 0.00 0.00 54.79 52.45 2fe0 n ASP 68 Cb 0.33 -1.73 -0.07 0.00 -0.72 0.00 0.00 41.12 38.93 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fe0 s ASP 70 N 2.68 6.43 0.21 0.00 1.11 -1.21 -4.92 116.67 120.97 2fe0 s ASP 70 Ca 0.04 -2.18 0.10 0.00 0.18 0.00 0.00 52.55 50.69 2fe0 s ASP 70 Cb -0.13 -2.58 -0.05 0.00 1.07 0.00 0.00 42.92 41.23 2fe0 s ASP 70 CO -0.16 -1.60 -0.19 0.27 1.18 0.00 0.00 175.17 174.68 2fe0 s ILE 71 N 5.71 2.11 0.22 0.77 -4.36 -1.25 0.19 121.20 124.58 2fe0 s ILE 71 Ca 0.56 -2.16 0.05 0.00 -0.26 0.00 0.00 60.65 58.85 2fe0 s ILE 71 Cb 0.03 -2.08 -0.05 0.00 1.25 0.00 0.00 42.46 41.60 2fe0 s ILE 71 CO 0.07 -0.37 -0.06 -0.75 0.24 0.00 0.00 174.94 174.08 2fe0 s LYS 72 N -3.18 1.32 -0.17 0.37 2.20 0.87 -4.92 119.74 116.24 2fe0 s LYS 72 Ca 0.23 -1.64 -0.07 0.00 -0.36 0.00 0.00 55.97 54.13 2fe0 s LYS 72 Cb -0.05 -0.80 -0.04 0.00 -1.51 0.00 0.00 37.83 35.43 2fe0 s LYS 72 CO 0.10 0.01 0.07 0.00 -0.36 0.00 0.00 175.35 175.17 2fe0 s ALA 73 N -3.25 3.49 0.41 3.13 0.00 -1.26 -1.25 121.76 123.02 2fe0 s ALA 73 Ca 0.25 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.56 2fe0 s ALA 73 Cb 0.04 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 2fe0 s ALA 73 CO 0.07 0.26 0.28 -0.51 0.00 0.00 0.00 175.76 175.87 2fe0 s LEU 74 N 0.10 3.28 0.00 0.00 1.43 0.18 -4.91 118.68 118.76 2fe0 s LEU 74 Ca 0.06 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 2fe0 s LEU 74 Cb -0.12 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2fe0 s LEU 74 CO 0.00 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 176.61 2fe0 n GLY 75 N -1.39 1.61 0.18 -3.19 0.00 -1.26 -0.29 105.19 100.84 2fe0 n GLY 75 Ca 0.01 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 45.96 2fe0 n GLY 75 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2fe0 n LYS 76 N 14.00 0.98 -1.49 1.61 2.85 -1.26 -4.89 118.16 129.96 2fe0 n LYS 76 Ca 0.00 -0.36 -0.58 0.00 -1.05 0.00 0.00 58.31 56.33 2fe0 n LYS 76 Cb 0.00 -1.49 -0.09 0.00 -0.65 0.00 0.00 35.03 32.80 2fe0 n LYS 76 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2fe0 n THR 77 N -0.70 0.13 -2.79 0.58 -1.04 0.60 -4.86 114.28 106.20 2fe0 n THR 77 Ca 0.18 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.68 2fe0 n THR 77 Cb 0.26 -1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 67.73 2fe0 n THR 77 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2fe0 s LYS 78 N 5.04 4.29 -0.11 -2.82 2.20 -1.19 -4.47 119.74 122.69 2fe0 s LYS 78 Ca 1.10 1.16 0.02 0.00 -0.36 0.00 0.00 55.97 57.89 2fe0 s LYS 78 Cb -1.21 -3.60 -0.01 0.00 -1.51 0.00 0.00 37.83 31.51 2fe0 s LYS 78 CO 0.63 -0.43 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.84 2fe0 s LEU 79 N 2.49 2.39 0.05 5.43 2.96 -1.26 -3.28 118.68 127.46 2fe0 s LEU 79 Ca 0.41 -0.44 -0.18 0.00 -0.22 0.00 0.00 54.13 53.70 2fe0 s LEU 79 Cb -0.16 -1.50 0.03 0.00 0.50 0.00 0.00 46.19 45.06 2fe0 s LEU 79 CO 0.11 0.17 0.40 -1.83 -1.32 0.00 0.00 176.35 173.88 2fe0 s GLU 80 N 0.30 0.92 0.11 1.98 -1.05 -1.09 -5.01 118.70 114.86 2fe0 s GLU 80 Ca -0.14 -0.40 0.04 0.00 -0.15 0.00 0.00 54.97 54.32 2fe0 s GLU 80 Cb -0.17 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 33.89 2fe0 s GLU 80 CO 0.07 -0.32 0.10 -1.14 0.95 0.00 0.00 175.26 174.92 2fe0 s GLN 81 N -2.56 2.89 0.38 -4.83 0.74 -1.26 -1.75 119.66 113.27 2fe0 s GLN 81 Ca -0.05 -0.76 0.08 0.00 0.05 0.00 0.00 55.36 54.68 2fe0 s GLN 81 Cb -0.01 -2.70 -0.01 0.00 1.10 0.00 0.00 33.01 31.39 2fe0 s GLN 81 CO -0.03 0.54 0.42 -0.65 -0.55 0.00 0.00 175.29 175.01 2fe0 s GLN 82 N -2.65 2.74 0.27 1.67 -1.52 -0.36 -4.95 119.66 114.88 2fe0 s GLN 82 Ca 0.30 -1.32 -0.01 0.00 -1.95 0.00 0.00 55.36 52.38 2fe0 s GLN 82 Cb -0.11 -2.56 0.39 0.00 -0.22 0.00 0.00 33.01 30.50 2fe0 s GLN 82 CO 0.22 -0.10 1.78 0.93 -0.25 0.00 0.00 175.29 177.87 2fe0 h GLU 83 N 0.97 0.73 0.00 2.91 5.08 -2.00 -2.09 114.58 120.17 2fe0 h GLU 83 Ca -0.43 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 57.73 2fe0 h GLU 83 Cb 1.26 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2fe0 h GLU 83 CO 0.54 0.75 -0.04 -2.95 -1.00 0.00 0.00 179.01 176.30 2fe0 h ASN 84 N 0.68 0.00 0.00 1.42 -0.00 -2.05 -3.46 115.58 112.17 2fe0 h ASN 84 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.43 2fe0 h ASN 84 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.76 2fe0 h ASN 84 CO 0.02 0.04 0.00 0.61 -0.00 0.00 0.00 177.43 178.10 2fe0 n GLY 85 N -1.15 0.85 3.11 9.14 0.00 -0.79 -5.04 105.19 111.32 2fe0 n GLY 85 Ca -0.03 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2fe0 n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fe0 s GLU 86 N -1.66 0.53 -0.11 1.61 2.02 -1.25 -2.34 118.70 117.50 2fe0 s GLU 86 Ca 0.00 -0.54 -0.04 0.00 0.02 0.00 0.00 54.97 54.41 2fe0 s GLU 86 Cb 0.00 0.22 -0.04 0.00 0.10 0.00 0.00 34.13 34.41 2fe0 s GLU 86 CO 0.00 -0.13 0.06 -1.58 0.02 0.00 0.00 175.26 173.63 2fe0 s TRP 87 N -1.88 3.34 -0.04 1.61 0.52 0.32 -1.22 118.94 121.58 2fe0 s TRP 87 Ca -0.11 0.32 0.04 0.00 0.02 0.00 0.00 56.10 56.36 2fe0 s TRP 87 Cb -0.05 -1.87 0.00 0.00 -1.15 0.00 0.00 33.47 30.40 2fe0 s TRP 87 CO -0.01 0.55 -0.15 0.08 0.02 0.00 0.00 176.95 177.45 2fe0 s VAL 88 N -0.86 1.25 -0.24 4.03 1.01 -0.72 -0.04 120.40 124.83 2fe0 s VAL 88 Ca 0.13 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2fe0 s VAL 88 Cb -0.12 -1.09 0.08 0.00 0.00 0.00 0.00 36.38 35.25 2fe0 s VAL 88 CO 0.03 0.37 0.08 0.00 0.00 0.00 0.00 175.10 175.58 2fe0 s ALA 89 N 0.19 0.92 0.03 5.51 0.00 -1.07 -2.65 121.76 124.69 2fe0 s ALA 89 Ca -0.06 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.04 2fe0 s ALA 89 Cb -0.12 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 2fe0 s ALA 89 CO 0.02 -1.40 -0.19 -1.54 0.00 0.00 0.00 175.76 172.65 2fe0 s SER 90 N 1.92 3.73 -0.13 0.00 1.04 -1.21 -3.28 113.70 115.78 2fe0 s SER 90 Ca 0.04 -0.43 -0.29 0.00 0.48 0.00 0.00 55.95 55.75 2fe0 s SER 90 Cb -0.17 -0.59 0.08 0.00 0.10 0.00 0.00 66.02 65.45 2fe0 s SER 90 CO -0.19 0.26 0.75 0.54 0.98 0.00 0.00 173.24 175.58 2fe0 s VAL 91 N -0.90 0.00 -0.15 5.02 0.11 -1.03 -3.15 120.40 120.30 2fe0 s VAL 91 Ca 0.14 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.12 2fe0 s VAL 91 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2fe0 s VAL 91 CO 0.05 0.00 0.10 -0.69 -3.33 0.00 0.00 175.10 171.22 2fe0 s VAL 92 N -0.76 5.12 -0.14 2.04 1.01 -1.26 -2.01 120.40 124.40 2fe0 s VAL 92 Ca -0.07 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2fe0 s VAL 92 Cb -0.01 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2fe0 s VAL 92 CO 0.06 0.53 -0.10 -0.69 0.00 0.00 0.00 175.10 174.90 2fe0 s VAL 93 N -0.28 3.25 0.26 2.92 1.01 -1.02 -5.03 120.40 121.51 2fe0 s VAL 93 Ca 0.10 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2fe0 s VAL 93 Cb -0.12 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 2fe0 s VAL 93 CO 0.01 0.51 0.53 -0.31 0.00 0.00 0.00 175.10 175.84 2fe0 s TYR 94 N 0.47 3.47 0.96 5.22 2.02 -1.26 -3.27 117.35 124.95 2fe0 s TYR 94 Ca -0.08 0.67 -0.11 0.00 -0.37 0.00 0.00 57.07 57.18 2fe0 s TYR 94 Cb -0.15 -2.12 0.15 0.00 -0.40 0.00 0.00 41.96 39.44 2fe0 s TYR 94 CO 0.04 0.23 1.00 -0.35 -1.57 0.00 0.00 175.55 174.90 2fe0 n PRO 95 N -0.65 -0.69 -2.31 -1.71 -0.04 -1.26 -2.51 135.00 125.84 2fe0 n PRO 95 Ca -0.01 -0.14 -0.04 0.00 -0.04 0.00 0.00 63.50 63.27 2fe0 n PRO 95 Cb 0.53 -2.27 -0.00 0.00 -0.04 0.00 0.00 33.50 31.72 2fe0 n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fe0 s GLU 97 N -4.67 0.28 -0.10 0.00 2.02 -1.04 -5.04 118.70 110.15 2fe0 s GLU 97 Ca 0.00 0.66 -0.02 0.00 0.02 0.00 0.00 54.97 55.64 2fe0 s GLU 97 Cb 0.00 -0.06 -0.03 0.00 0.10 0.00 0.00 34.13 34.14 2fe0 s GLU 97 CO 0.00 -0.17 -0.03 0.99 0.02 0.00 0.00 175.26 176.07 2fe0 s THR 98 N 1.42 4.04 0.24 3.63 2.01 -1.26 -4.10 115.64 121.62 2fe0 s THR 98 Ca -0.09 -0.34 0.05 0.00 0.31 0.00 0.00 61.69 61.63 2fe0 s THR 98 Cb -0.10 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 2fe0 s THR 98 CO -0.10 0.57 -0.05 -1.61 -0.69 0.00 0.00 174.62 172.73 2fe0 s GLU 99 N -0.46 1.40 0.40 4.92 0.41 -1.18 -4.95 118.70 119.24 2fe0 s GLU 99 Ca 0.08 -1.69 -0.09 0.00 -0.41 0.00 0.00 54.97 52.85 2fe0 s GLU 99 Cb -0.12 -0.90 -0.06 0.00 -1.78 0.00 0.00 34.13 31.27 2fe0 s GLU 99 CO 0.02 0.01 0.75 -1.64 -0.49 0.00 0.00 175.26 173.91 2fe0 s MET 100 N -3.77 3.73 0.00 1.61 -1.94 -1.26 -3.02 119.30 114.65 2fe0 s MET 100 Ca 0.27 0.39 0.00 0.00 -1.71 0.00 0.00 55.69 54.64 2fe0 s MET 100 Cb 0.04 -2.41 0.00 0.00 2.01 0.00 0.00 34.83 34.46 2fe0 s MET 100 CO 0.09 -0.03 0.00 0.34 -0.01 0.00 0.00 175.02 175.41 2fe0 n PHE 101 N -1.39 0.00 -4.34 -0.03 7.35 -0.48 -4.49 117.46 114.08 2fe0 n PHE 101 Ca 0.02 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.49 2fe0 n PHE 101 Cb 0.54 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.26 2fe0 n PHE 101 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2fe0 s ILE 102 N 1.40 1.87 0.11 -2.13 -5.25 -1.25 0.48 121.20 116.43 2fe0 s ILE 102 Ca 0.00 -1.97 0.03 0.00 -0.99 0.00 0.00 60.65 57.72 2fe0 s ILE 102 Cb 0.00 -1.90 -0.04 0.00 2.95 0.00 0.00 42.46 43.47 2fe0 s ILE 102 CO 0.00 -0.33 -0.09 -0.70 -1.79 0.00 0.00 174.94 172.03 2fe0 s GLU 103 N -2.89 0.89 0.00 0.37 2.12 -0.38 0.47 118.70 119.28 2fe0 s GLU 103 Ca 0.17 -1.29 0.00 0.00 0.36 0.00 0.00 54.97 54.21 2fe0 s GLU 103 Cb -0.05 -0.43 0.00 0.00 0.26 0.00 0.00 34.13 33.91 2fe0 s GLU 103 CO 0.07 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.24 2fe0 n GLY 104 N 0.16 0.29 3.84 -1.50 0.00 -0.97 0.30 105.19 107.32 2fe0 n GLY 104 Ca -0.13 -2.26 -0.37 0.00 0.00 0.00 0.00 46.02 43.25 2fe0 n GLY 104 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fe0 s ARG 105 N 0.00 3.93 -0.04 1.61 3.52 0.50 -4.86 118.95 123.62 2fe0 s ARG 105 Ca 0.00 0.42 0.05 0.00 -0.13 0.00 0.00 55.73 56.07 2fe0 s ARG 105 Cb 0.00 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 2fe0 s ARG 105 CO 0.00 0.63 -0.20 0.08 -0.81 0.00 0.00 175.30 175.00 2fe0 s VAL 106 N -1.19 1.63 -0.17 7.11 1.01 -1.26 -3.32 120.40 124.21 2fe0 s VAL 106 Ca 0.28 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 2fe0 s VAL 106 Cb -0.16 -1.38 0.08 0.00 0.00 0.00 0.00 36.38 34.92 2fe0 s VAL 106 CO 0.16 0.46 0.32 0.54 0.00 0.00 0.00 175.10 176.58 2fe0 s ASN 107 N -0.19 0.25 -0.18 3.32 4.22 -1.26 -5.03 114.94 116.06 2fe0 s ASN 107 Ca 0.00 0.59 -0.11 0.00 -2.14 0.00 0.00 52.86 51.21 2fe0 s ASN 107 Cb -0.11 0.92 0.04 0.00 1.28 0.00 0.00 41.25 43.38 2fe0 s ASN 107 CO 0.01 -0.25 0.22 0.61 -2.04 0.00 0.00 177.10 175.65 2fe0 n GLY 108 N 5.36 -4.79 3.30 0.45 0.00 -1.26 -4.42 105.19 103.84 2fe0 n GLY 108 Ca -0.06 1.63 -0.12 0.00 0.00 0.00 0.00 46.02 47.47 2fe0 n GLY 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fe0 s PHE 109 N -0.65 -0.20 -0.11 1.61 -0.71 -1.26 -3.29 117.98 113.37 2fe0 s PHE 109 Ca -0.26 0.03 -0.01 0.00 -1.04 0.00 0.00 56.93 55.66 2fe0 s PHE 109 Cb 0.02 0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 2fe0 s PHE 109 CO 0.73 -0.61 -0.06 0.15 -1.34 0.00 0.00 175.22 174.10 2fe0 s LYS 110 N -3.01 3.15 -0.09 1.99 1.02 0.93 -4.96 119.74 118.76 2fe0 s LYS 110 Ca -0.02 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.45 2fe0 s LYS 110 Cb 0.00 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 2fe0 s LYS 110 CO -0.06 0.48 -0.14 -1.12 -0.92 0.00 0.00 175.35 173.58 2fe0 s SER 111 N -0.30 3.96 -0.03 2.83 0.01 -1.26 0.17 113.70 119.08 2fe0 s SER 111 Ca 0.05 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 57.01 2fe0 s SER 111 Cb -0.13 -1.26 0.03 0.00 0.21 0.00 0.00 66.02 64.88 2fe0 s SER 111 CO 0.02 0.24 0.04 -0.75 0.41 0.00 0.00 173.24 173.20 2fe0 s LYS 112 N -0.12 0.01 0.30 12.44 2.20 0.16 -4.99 119.74 129.74 2fe0 s LYS 112 Ca -0.02 0.24 0.02 0.00 -0.36 0.00 0.00 55.97 55.86 2fe0 s LYS 112 Cb -0.14 -0.40 -0.05 0.00 -1.51 0.00 0.00 37.83 35.74 2fe0 s LYS 112 CO 0.04 -0.23 0.10 -1.64 -0.36 0.00 0.00 175.35 173.26 2fe0 s MET 113 N 1.50 1.56 0.24 4.03 -1.94 -1.26 -0.98 119.30 122.45 2fe0 s MET 113 Ca -0.04 -1.87 -0.22 0.00 -1.71 0.00 0.00 55.69 51.85 2fe0 s MET 113 Cb -0.13 -0.41 0.05 0.00 2.01 0.00 0.00 34.83 36.35 2fe0 s MET 113 CO -0.03 -0.32 0.85 0.34 -0.01 0.00 0.00 175.02 175.85 2fe0 s ASP 114 N -3.40 -0.17 -0.41 3.03 -1.08 -1.17 -5.00 116.67 108.47 2fe0 s ASP 114 Ca 0.36 -0.60 0.02 0.00 -0.52 0.00 0.00 52.55 51.81 2fe0 s ASP 114 Cb 0.07 0.63 0.12 0.00 -1.46 0.00 0.00 42.92 42.28 2fe0 s ASP 114 CO 0.15 -1.18 0.17 0.00 0.52 0.00 0.00 175.17 174.82 2fe0 s ALA 115 N -3.32 2.52 0.24 3.66 0.00 -1.26 -2.47 121.76 121.13 2fe0 s ALA 115 Ca 0.13 -2.57 -0.07 0.00 0.00 0.00 0.00 51.96 49.46 2fe0 s ALA 115 Cb -0.04 -1.93 -0.06 0.00 0.00 0.00 0.00 23.12 21.10 2fe0 s ALA 115 CO 0.06 -1.88 0.52 -0.51 0.00 0.00 0.00 175.76 173.95 2fe0 s LEU 116 N 0.59 4.13 0.11 0.00 1.43 -0.51 -4.81 118.68 119.62 2fe0 s LEU 116 Ca 0.14 0.78 -0.30 0.00 -1.03 0.00 0.00 54.13 53.71 2fe0 s LEU 116 Cb -0.22 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.38 2fe0 s LEU 116 CO -0.07 -0.11 1.19 -2.16 0.23 0.00 0.00 176.35 175.43 2fe0 s PRO 117 N -3.12 4.46 -0.23 1.29 0.04 -1.26 0.17 135.00 136.34 2fe0 s PRO 117 Ca 0.45 1.80 -0.35 0.00 0.04 0.00 0.00 61.00 62.94 2fe0 s PRO 117 Cb -0.11 -3.31 -0.12 0.00 0.04 0.00 0.00 34.50 31.00 2fe0 s PRO 117 CO 0.26 -0.18 2.01 1.28 0.04 0.00 0.00 177.00 180.40 2fe0 n LEU 118 N 3.37 2.74 0.00 -3.56 4.77 -0.98 -4.77 117.00 118.57 2fe0 n LEU 118 Ca 0.07 0.71 -0.03 0.00 -0.03 0.00 0.00 56.01 56.74 2fe0 n LEU 118 Cb 0.46 -1.30 0.02 0.00 -2.33 0.00 0.00 43.42 40.26 2fe0 n LEU 118 CO 0.55 -0.43 0.08 -1.20 -1.33 0.00 0.00 177.39 175.06 2fe0 n SER 119 N 8.08 0.07 0.26 -1.43 7.64 -1.26 -4.90 113.62 122.08 2fe0 n SER 119 Ca 0.31 -1.08 0.11 0.00 1.01 0.00 0.00 58.87 59.22 2fe0 n SER 119 Cb 0.25 -0.09 0.72 0.00 -1.01 0.00 0.00 64.21 64.09 2fe0 n SER 119 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2fe0 h GLU 120 N 0.00 0.00 -0.86 1.43 4.11 -2.00 -2.21 114.58 115.05 2fe0 h GLU 120 Ca -0.04 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.43 2fe0 h GLU 120 Cb 0.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2fe0 h GLU 120 CO 0.03 0.08 0.55 1.05 0.07 0.00 0.00 179.01 180.80 2fe0 h GLU 121 N 0.00 1.02 -0.47 1.06 4.11 -1.99 -1.59 114.58 116.71 2fe0 h GLU 121 Ca -0.00 -0.06 -0.08 0.00 0.07 0.00 0.00 59.36 59.29 2fe0 h GLU 121 Cb 0.19 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2fe0 h GLU 121 CO 0.01 0.67 -0.02 -0.92 0.07 0.00 0.00 179.01 178.83 2fe0 h TYR 122 N 1.05 0.93 -0.78 2.06 3.20 -1.74 -1.38 116.97 120.30 2fe0 h TYR 122 Ca 0.35 -0.17 0.07 0.00 3.14 0.00 0.00 58.73 62.13 2fe0 h TYR 122 Cb 0.05 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.02 2fe0 h TYR 122 CO -0.02 0.89 0.45 0.00 -1.64 0.00 0.00 178.16 177.84 2fe0 h ARG 123 N 0.70 0.78 -0.32 1.82 2.47 -1.32 -1.21 114.38 117.30 2fe0 h ARG 123 Ca 0.13 -0.05 -0.14 0.00 -1.26 0.00 0.00 59.98 58.67 2fe0 h ARG 123 Cb 0.53 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 2fe0 h ARG 123 CO 0.03 0.51 -0.36 1.96 0.56 0.00 0.00 179.97 182.67 2fe0 h GLN 124 N 0.80 0.73 -0.37 0.04 1.08 -1.13 -2.78 115.11 113.48 2fe0 h GLN 124 Ca 0.36 -0.36 0.11 0.00 -1.45 0.00 0.00 58.65 57.31 2fe0 h GLN 124 Cb 0.25 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2fe0 h GLN 124 CO -0.21 0.97 0.28 1.25 -0.95 0.00 0.00 178.83 180.18 2fe0 h HIS 125 N 0.61 0.00 0.00 2.96 -0.00 -0.08 0.33 115.15 118.97 2fe0 h HIS 125 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 2fe0 h HIS 125 Cb 0.89 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.30 2fe0 h HIS 125 CO 0.04 0.00 -0.03 1.96 -0.00 0.00 0.00 177.93 179.91 2fe0 h GLN 126 N 0.00 0.00 -0.86 5.26 4.20 -1.12 -2.49 115.11 120.10 2fe0 h GLN 126 Ca 0.18 0.00 0.14 0.00 0.06 0.00 0.00 58.65 59.03 2fe0 h GLN 126 Cb 0.74 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.45 2fe0 h GLN 126 CO -0.00 0.03 0.56 0.00 -0.67 0.00 0.00 178.83 178.74 2fe0 h ALA 127 N 1.97 1.87 -0.01 3.87 0.00 -0.46 0.23 119.26 126.74 2fe0 h ALA 127 Ca -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2fe0 h ALA 127 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2fe0 h ALA 127 CO 0.00 -0.10 -0.35 1.05 0.00 0.00 0.00 179.25 179.85 2fe0 h GLU 128 N 0.65 0.01 0.00 0.00 4.11 -1.61 -3.38 114.58 114.36 2fe0 h GLU 128 Ca 0.43 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.85 2fe0 h GLU 128 Cb 0.71 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2fe0 h GLU 128 CO -0.18 0.36 0.00 1.63 0.07 0.00 0.00 179.01 180.89 2fe0 n LYS 129 N -4.12 0.00 -1.45 1.06 5.02 0.75 -4.92 118.16 114.50 2fe0 n LYS 129 Ca -0.02 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.30 2fe0 n LYS 129 Cb 0.39 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.46 2fe0 n LYS 129 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2fe0 n ASP 130 N 0.00 1.29 0.00 4.39 8.00 -1.09 -5.13 116.55 124.01 2fe0 n ASP 130 Ca 0.00 -2.43 0.00 0.00 0.71 0.00 0.00 54.79 53.07 2fe0 n ASP 130 Cb 0.00 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 2fe0 n ASP 130 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10